pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.219999998807907	QSARToolbox	1	0	C[S@+]([O-])c1cc[nH+]nc1,C[S@+]([O-])c1ccn[nH+]c1	C[S@+]([O-])c1ccnnc1	mol6973	C[S+]([O-])c1ccnnc1